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canSAR1685930
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H]1CN([C@@H](Cc2ccccc2)CN2CCC[C@H]2CN2C(=O)C(=O)NC[C@@H]2Cc2ccc(O)cc2)C(=O)C(=O)N1CCc1ccccc1
    InChI
    InChI=1S/C41H51N5O5/c1-29(2)22-35-28-46(41(51)40(50)44(35)21-19-30-10-5-3-6-11-30)36(24-31-12-7-4-8-13-31)26-43-20-9-14-33(43)27-45-34(25-42-38(48)39(45)49)23-32-15-17-37(47)18-16-32/h3-8,10-13,15-18,29,33-36,47H,9,14,19-28H2,1-2H3,(H,42,48)/t33-,34-,35-,36-/m0/s1
    MOLECULAR FORMULA
    C41H51N5O5
    CROSS REFERENCES
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    canSAR1685930

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 693.39
    AlogP 3.67
    HBond donors 2
    HBond acceptors 10
    Atoms 102
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1685930.